Natural Product: NPC17565

Natural Product ID:  NPC17565
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C14H9N3O2
Standard InCHIKey:  LMHRIBSXZWWDSE-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H9N3O2/c1-19-10-6-8-2-4-15-9-3-5-17-11(18)7-16-13(10)14(17)12(8)9/h2-7H,1H3
Canonical SMILES:  COc1cc2ccnc3c2c2c1ncc(=O)n2cc3
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO13586 Aaptos suberitoides Species Suberitidae Eukaryota Indonesia PMID[23282083]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1864 Cell Line L5178Y Mus musculus GI = 0 % 20056545

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC17565 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9798 High Similarity NPC65277
0.8592 High Similarity NPC162530
0.8486 Intermediate Similarity NPC472061
0.8469 Intermediate Similarity NPC473513
0.8429 Intermediate Similarity NPC173080
0.8364 Intermediate Similarity NPC30540
0.8309 Intermediate Similarity NPC174758
0.8075 Intermediate Similarity NPC274982
0.8048 Intermediate Similarity NPC174672
0.801 Intermediate Similarity NPC315957
0.8 Intermediate Similarity NPC82548
0.7933 Intermediate Similarity NPC295898
0.7915 Intermediate Similarity NPC287208
0.783 Intermediate Similarity NPC18348
0.7828 Intermediate Similarity NPC470018
0.7793 Intermediate Similarity NPC74575
0.7714 Intermediate Similarity NPC232727
0.7703 Intermediate Similarity NPC287437
0.7689 Intermediate Similarity NPC285558
0.7655 Intermediate Similarity NPC49547
0.7642 Intermediate Similarity NPC476138
0.7642 Intermediate Similarity NPC245816
0.7642 Intermediate Similarity NPC53144
0.7606 Intermediate Similarity NPC36229
0.7606 Intermediate Similarity NPC476581
0.7606 Intermediate Similarity NPC16452
0.7593 Intermediate Similarity NPC167860
0.7593 Intermediate Similarity NPC123976
0.7585 Intermediate Similarity NPC133140
0.7585 Intermediate Similarity NPC195268
0.7574 Intermediate Similarity NPC26543
0.757 Intermediate Similarity NPC470164
0.757 Intermediate Similarity NPC323345
0.7555 Intermediate Similarity NPC470017
0.7548 Intermediate Similarity NPC198673
0.7547 Intermediate Similarity NPC470586
0.7546 Intermediate Similarity NPC185782
0.7543 Intermediate Similarity NPC72905
0.7542 Intermediate Similarity NPC137353
0.7536 Intermediate Similarity NPC4071
0.7536 Intermediate Similarity NPC476582
0.7536 Intermediate Similarity NPC476578
0.7532 Intermediate Similarity NPC270515
0.7524 Intermediate Similarity NPC267928
0.7522 Intermediate Similarity NPC470022
0.7512 Intermediate Similarity NPC470020
0.75 Intermediate Similarity NPC234197
0.75 Intermediate Similarity NPC322482
0.7489 Intermediate Similarity NPC476287
0.7467 Intermediate Similarity NPC141053
0.7465 Intermediate Similarity NPC31930
0.7443 Intermediate Similarity NPC26679
0.7431 Intermediate Similarity NPC85273
0.7418 Intermediate Similarity NPC176538
0.7418 Intermediate Similarity NPC121772
0.7418 Intermediate Similarity NPC477019
0.7406 Intermediate Similarity NPC239954
0.7406 Intermediate Similarity NPC168911
0.7399 Intermediate Similarity NPC213530
0.7399 Intermediate Similarity NPC193267
0.7397 Intermediate Similarity NPC208284
0.7395 Intermediate Similarity NPC200836
0.7395 Intermediate Similarity NPC475774
0.7393 Intermediate Similarity NPC194967
0.7382 Intermediate Similarity NPC41501
0.7364 Intermediate Similarity NPC112206
0.7364 Intermediate Similarity NPC264176
0.7364 Intermediate Similarity NPC53069
0.7364 Intermediate Similarity NPC202768
0.7364 Intermediate Similarity NPC296482
0.7364 Intermediate Similarity NPC202605
0.7362 Intermediate Similarity NPC142385
0.7358 Intermediate Similarity NPC224928
0.735 Intermediate Similarity NPC99891
0.7349 Intermediate Similarity NPC211813
0.7342 Intermediate Similarity NPC470799
0.7342 Intermediate Similarity NPC8022
0.7336 Intermediate Similarity NPC19872
0.7333 Intermediate Similarity NPC60621
0.7331 Intermediate Similarity NPC208522
0.733 Intermediate Similarity NPC84478
0.7323 Intermediate Similarity NPC118511
0.7309 Intermediate Similarity NPC305984
0.7297 Intermediate Similarity NPC235076
0.7294 Intermediate Similarity NPC313189
0.7293 Intermediate Similarity NPC471762
0.7289 Intermediate Similarity NPC128115
0.7285 Intermediate Similarity NPC96405
0.7285 Intermediate Similarity NPC171409
0.7285 Intermediate Similarity NPC251160
0.728 Intermediate Similarity NPC472066
0.728 Intermediate Similarity NPC472067
0.728 Intermediate Similarity NPC472031
0.7277 Intermediate Similarity NPC23614
0.7277 Intermediate Similarity NPC303658
0.7277 Intermediate Similarity NPC100079
0.7273 Intermediate Similarity NPC290689
0.7273 Intermediate Similarity NPC469554
0.7273 Intermediate Similarity NPC188420
0.7269 Intermediate Similarity NPC122436
0.7269 Intermediate Similarity NPC472068
0.7256 Intermediate Similarity NPC329747
0.7252 Intermediate Similarity NPC271215
0.7252 Intermediate Similarity NPC149471
0.7244 Intermediate Similarity NPC46451
0.7229 Intermediate Similarity NPC260434
0.7227 Intermediate Similarity NPC469589
0.7225 Intermediate Similarity NPC216612
0.7215 Intermediate Similarity NPC135549
0.7212 Intermediate Similarity NPC42591
0.7204 Intermediate Similarity NPC92111
0.7202 Intermediate Similarity NPC329708
0.7202 Intermediate Similarity NPC47059
0.7202 Intermediate Similarity NPC165349
0.7202 Intermediate Similarity NPC264166
0.7202 Intermediate Similarity NPC274291
0.7202 Intermediate Similarity NPC118832
0.7198 Intermediate Similarity NPC101543
0.719 Intermediate Similarity NPC296527
0.7186 Intermediate Similarity NPC177404
0.7167 Intermediate Similarity NPC172222
0.7166 Intermediate Similarity NPC132385
0.7163 Intermediate Similarity NPC284559
0.7163 Intermediate Similarity NPC212213
0.7156 Intermediate Similarity NPC76748
0.715 Intermediate Similarity NPC13880
0.7149 Intermediate Similarity NPC210434
0.7149 Intermediate Similarity NPC201697
0.7143 Intermediate Similarity NPC314954
0.7143 Intermediate Similarity NPC66777
0.7136 Intermediate Similarity NPC307963
0.7129 Intermediate Similarity NPC1527
0.7117 Intermediate Similarity NPC199667
0.7104 Intermediate Similarity NPC475910
0.71 Intermediate Similarity NPC257851
0.71 Intermediate Similarity NPC473185
0.7098 Intermediate Similarity NPC236668
0.7095 Intermediate Similarity NPC314573
0.7094 Intermediate Similarity NPC476518
0.7093 Intermediate Similarity NPC292958
0.7091 Intermediate Similarity NPC472111
0.7082 Intermediate Similarity NPC475253
0.7074 Intermediate Similarity NPC118121
0.7072 Intermediate Similarity NPC473181
0.707 Intermediate Similarity NPC251090
0.7067 Intermediate Similarity NPC118776
0.7067 Intermediate Similarity NPC146976
0.7064 Intermediate Similarity NPC253675
0.7059 Intermediate Similarity NPC14651
0.7059 Intermediate Similarity NPC121658
0.7056 Intermediate Similarity NPC329541
0.7056 Intermediate Similarity NPC26872
0.7054 Intermediate Similarity NPC316981
0.7054 Intermediate Similarity NPC94157
0.7048 Intermediate Similarity NPC204446
0.7045 Intermediate Similarity NPC470930
0.7035 Intermediate Similarity NPC477110
0.7035 Intermediate Similarity NPC26850
0.7034 Intermediate Similarity NPC295228
0.7033 Intermediate Similarity NPC176127
0.7031 Intermediate Similarity NPC310118
0.7027 Intermediate Similarity NPC477111
0.7026 Intermediate Similarity NPC157931
0.7023 Intermediate Similarity NPC131017
0.7022 Intermediate Similarity NPC471080
0.7022 Intermediate Similarity NPC469592
0.7018 Intermediate Similarity NPC11017
0.701 Intermediate Similarity NPC314940
0.701 Intermediate Similarity NPC473764
0.7004 Intermediate Similarity NPC235685
0.7 Intermediate Similarity NPC122463
0.7 Intermediate Similarity NPC62069
0.6996 Remote Similarity NPC194740
0.699 Remote Similarity NPC312872
0.6983 Remote Similarity NPC200888
0.6983 Remote Similarity NPC227908
0.6982 Remote Similarity NPC193777
0.6978 Remote Similarity NPC472098
0.6975 Remote Similarity NPC101350
0.6974 Remote Similarity NPC473822
0.6974 Remote Similarity NPC473041
0.6972 Remote Similarity NPC476167
0.6967 Remote Similarity NPC133609
0.6967 Remote Similarity NPC20249
0.6966 Remote Similarity NPC24019
0.696 Remote Similarity NPC170114
0.6955 Remote Similarity NPC470678
0.6951 Remote Similarity NPC470931
0.6948 Remote Similarity NPC242928
0.6943 Remote Similarity NPC473179
0.6942 Remote Similarity NPC111624
0.6941 Remote Similarity NPC329793
0.694 Remote Similarity NPC21638
0.694 Remote Similarity NPC473449
0.6937 Remote Similarity NPC477113
0.6934 Remote Similarity NPC61350
0.6933 Remote Similarity NPC184680
0.693 Remote Similarity NPC280964
0.693 Remote Similarity NPC114335
0.693 Remote Similarity NPC141915

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC17565 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8029 Intermediate Similarity NPD4795 Phase 2
0.801 Intermediate Similarity NPD1739 Approved
0.801 Intermediate Similarity NPD1740 Approved
0.7756 Intermediate Similarity NPD4372 Phase 1
0.7736 Intermediate Similarity NPD5530 Phase 1
0.7585 Intermediate Similarity NPD3924 Approved
0.7585 Intermediate Similarity NPD3921 Approved
0.7585 Intermediate Similarity NPD3923 Approved
0.7585 Intermediate Similarity NPD3922 Approved
0.757 Intermediate Similarity NPD5601 Phase 2
0.7534 Intermediate Similarity NPD1856 Discontinued
0.7489 Intermediate Similarity NPD7729 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD7426 Phase 1
0.7432 Intermediate Similarity NPD6568 Discontinued
0.7419 Intermediate Similarity NPD5863 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD6961 Discontinued
0.7416 Intermediate Similarity NPD6569 Phase 2
0.7387 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7371 Intermediate Similarity NPD5999 Phase 2
0.7368 Intermediate Similarity NPD5559 Phase 2
0.7364 Intermediate Similarity NPD3815 Phase 1
0.7364 Intermediate Similarity NPD3816 Phase 1
0.7346 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD4926 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD7414 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD2285 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD6964 Approved
0.7284 Intermediate Similarity NPD6963 Approved
0.7261 Intermediate Similarity NPD6968 Phase 2
0.7261 Intermediate Similarity NPD6969 Phase 2
0.726 Intermediate Similarity NPD5658 Approved
0.7257 Intermediate Similarity NPD6230 Discontinued
0.7244 Intermediate Similarity NPD3763 Approved
0.7241 Intermediate Similarity NPD6494 Phase 2
0.7222 Intermediate Similarity NPD112 Approved
0.7222 Intermediate Similarity NPD9705 Discontinued
0.722 Intermediate Similarity NPD6140 Clinical (unspecified phase)
0.7217 Intermediate Similarity NPD4551 Phase 2
0.7215 Intermediate Similarity NPD7067 Approved
0.7215 Intermediate Similarity NPD7068 Approved
0.7212 Intermediate Similarity NPD4889 Approved
0.7209 Intermediate Similarity NPD4548 Discontinued
0.7203 Intermediate Similarity NPD6790 Phase 1
0.7202 Intermediate Similarity NPD4035 Approved
0.7202 Intermediate Similarity NPD32 Approved
0.7202 Intermediate Similarity NPD31 Approved
0.7202 Intermediate Similarity NPD4033 Approved
0.7202 Intermediate Similarity NPD4122 Approved
0.7202 Intermediate Similarity NPD4037 Approved
0.7202 Intermediate Similarity NPD4036 Approved
0.7202 Intermediate Similarity NPD4034 Approved
0.7202 Intermediate Similarity NPD4039 Approved
0.7202 Intermediate Similarity NPD4038 Approved
0.72 Intermediate Similarity NPD4429 Discontinued
0.7172 Intermediate Similarity NPD8091 Phase 3
0.7162 Intermediate Similarity NPD4502 Phase 2
0.7161 Intermediate Similarity NPD7117 Phase 2
0.715 Intermediate Similarity NPD3478 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD3477 Phase 2
0.715 Intermediate Similarity NPD3386 Phase 2
0.7149 Intermediate Similarity NPD7924 Phase 2
0.7149 Intermediate Similarity NPD7925 Phase 2
0.7143 Intermediate Similarity NPD1078 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7710 Clinical (unspecified phase)
0.7137 Intermediate Similarity NPD5070 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD3920 Phase 2
0.7136 Intermediate Similarity NPD7222 Phase 2
0.7136 Intermediate Similarity NPD1038 Approved
0.713 Intermediate Similarity NPD7675 Phase 3
0.713 Intermediate Similarity NPD7674 Phase 3
0.713 Intermediate Similarity NPD7676 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD7069 Discontinued
0.7129 Intermediate Similarity NPD6872 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD5948 Phase 2
0.7116 Intermediate Similarity NPD1622 Discontinued
0.7094 Intermediate Similarity NPD6223 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD8016 Phase 3
0.7089 Intermediate Similarity NPD7025 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD8017 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD5513 Phase 2
0.7071 Intermediate Similarity NPD7413 Phase 3
0.7061 Intermediate Similarity NPD5930 Phase 3
0.7031 Intermediate Similarity NPD5147 Discontinued
0.7031 Intermediate Similarity NPD5506 Approved
0.7031 Intermediate Similarity NPD5507 Approved
0.7031 Intermediate Similarity NPD4881 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD6366 Clinical (unspecified phase)
0.7023 Intermediate Similarity NPD4418 Discontinued
0.7023 Intermediate Similarity NPD6491 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD5488 Discontinued
0.7008 Intermediate Similarity NPD7859 Phase 2
0.699 Remote Similarity NPD1923 Clinical (unspecified phase)
0.6986 Remote Similarity NPD4204 Approved
0.6986 Remote Similarity NPD4203 Approved
0.6983 Remote Similarity NPD7897 Phase 3
0.6983 Remote Similarity NPD7898 Clinical (unspecified phase)
0.6972 Remote Similarity NPD5547 Clinical (unspecified phase)
0.6972 Remote Similarity NPD4118 Clinical (unspecified phase)
0.6966 Remote Similarity NPD7589 Clinical (unspecified phase)
0.6959 Remote Similarity NPD2952 Discontinued
0.6951 Remote Similarity NPD5529 Phase 1
0.6951 Remote Similarity NPD7467 Discontinued
0.6951 Remote Similarity NPD5528 Clinical (unspecified phase)
0.6944 Remote Similarity NPD3395 Approved
0.6944 Remote Similarity NPD3396 Approved
0.6943 Remote Similarity NPD6500 Approved
0.6943 Remote Similarity NPD6501 Approved
0.6941 Remote Similarity NPD4396 Clinical (unspecified phase)
0.6938 Remote Similarity NPD2600 Approved
0.6938 Remote Similarity NPD2599 Approved
0.6938 Remote Similarity NPD2601 Approved
0.6933 Remote Similarity NPD3570 Phase 2
0.6929 Remote Similarity NPD7620 Phase 2
0.6926 Remote Similarity NPD6824 Clinical (unspecified phase)
0.692 Remote Similarity NPD4437 Phase 3
0.692 Remote Similarity NPD2757 Phase 2
0.6917 Remote Similarity NPD6848 Phase 1
0.6916 Remote Similarity NPD4897 Phase 2
0.6913 Remote Similarity NPD6242 Discontinued
0.6911 Remote Similarity NPD7405 Clinical (unspecified phase)
0.6906 Remote Similarity NPD7453 Approved
0.6906 Remote Similarity NPD1392 Approved
0.6906 Remote Similarity NPD7452 Approved
0.6901 Remote Similarity NPD6257 Clinical (unspecified phase)
0.6901 Remote Similarity NPD1034 Phase 3
0.6901 Remote Similarity NPD1033 Clinical (unspecified phase)
0.6894 Remote Similarity NPD5022 Discontinued
0.6892 Remote Similarity NPD3946 Clinical (unspecified phase)
0.6888 Remote Similarity NPD6716 Phase 1
0.6888 Remote Similarity NPD5874 Phase 3
0.6888 Remote Similarity NPD5873 Phase 3
0.6884 Remote Similarity NPD2334 Discontinued
0.6883 Remote Similarity NPD6298 Discontinued
0.6881 Remote Similarity NPD4899 Clinical (unspecified phase)
0.6878 Remote Similarity NPD6477 Clinical (unspecified phase)
0.6878 Remote Similarity NPD5040 Clinical (unspecified phase)
0.6878 Remote Similarity NPD6741 Clinical (unspecified phase)
0.6875 Remote Similarity NPD2739 Clinical (unspecified phase)
0.6875 Remote Similarity NPD2921 Clinical (unspecified phase)
0.6872 Remote Similarity NPD5945 Phase 1
0.6872 Remote Similarity NPD5944 Phase 1
0.6867 Remote Similarity NPD7586 Clinical (unspecified phase)
0.6861 Remote Similarity NPD3932 Clinical (unspecified phase)
0.6858 Remote Similarity NPD6567 Clinical (unspecified phase)
0.6858 Remote Similarity NPD4131 Phase 3
0.6856 Remote Similarity NPD3440 Clinical (unspecified phase)
0.6854 Remote Similarity NPD7758 Approved
0.6854 Remote Similarity NPD7757 Approved
0.6853 Remote Similarity NPD1954 Phase 1
0.6838 Remote Similarity NPD7603 Discontinued
0.6837 Remote Similarity NPD6281 Approved
0.6837 Remote Similarity NPD3321 Discontinued
0.6835 Remote Similarity NPD4885 Approved
0.6835 Remote Similarity NPD7797 Approved
0.6835 Remote Similarity NPD7796 Approved
0.6833 Remote Similarity NPD6592 Clinical (unspecified phase)
0.6827 Remote Similarity NPD5602 Clinical (unspecified phase)
0.6827 Remote Similarity NPD9690 Approved
0.6824 Remote Similarity NPD6306 Phase 2
0.6822 Remote Similarity NPD6393 Clinical (unspecified phase)
0.6822 Remote Similarity NPD8052 Clinical (unspecified phase)
0.682 Remote Similarity NPD9695 Approved
0.6818 Remote Similarity NPD2177 Approved
0.6818 Remote Similarity NPD2176 Approved
0.6818 Remote Similarity NPD2175 Phase 3
0.6814 Remote Similarity NPD4900 Clinical (unspecified phase)
0.681 Remote Similarity NPD1620 Clinical (unspecified phase)
0.6807 Remote Similarity NPD7558 Phase 2
0.6797 Remote Similarity NPD3514 Clinical (unspecified phase)
0.6793 Remote Similarity NPD4995 Approved
0.6793 Remote Similarity NPD4996 Approved
0.6789 Remote Similarity NPD3810 Clinical (unspecified phase)
0.6789 Remote Similarity NPD6525 Clinical (unspecified phase)
0.6782 Remote Similarity NPD2581 Approved
0.6782 Remote Similarity NPD2582 Approved
0.678 Remote Similarity NPD2782 Approved
0.678 Remote Similarity NPD2780 Approved
0.6776 Remote Similarity NPD2917 Approved
0.677 Remote Similarity NPD2125 Clinical (unspecified phase)
0.6762 Remote Similarity NPD5483 Clinical (unspecified phase)
0.6762 Remote Similarity NPD1032 Phase 2
0.6762 Remote Similarity NPD4071 Approved
0.6762 Remote Similarity NPD7967 Discontinued
0.6762 Remote Similarity NPD4072 Approved
0.6761 Remote Similarity NPD5083 Clinical (unspecified phase)
0.6759 Remote Similarity NPD4081 Clinical (unspecified phase)
0.6758 Remote Similarity NPD6550 Discontinued
0.6757 Remote Similarity NPD5437 Clinical (unspecified phase)
0.6756 Remote Similarity NPD3930 Clinical (unspecified phase)
0.6756 Remote Similarity NPD5429 Discontinued
0.6751 Remote Similarity NPD4925 Approved
0.6748 Remote Similarity NPD4558 Phase 2
0.6747 Remote Similarity NPD8246 Approved
0.6747 Remote Similarity NPD8247 Approved
0.6741 Remote Similarity NPD3397 Phase 2
0.6739 Remote Similarity NPD5612 Discontinued
0.6739 Remote Similarity NPD6147 Clinical (unspecified phase)
0.6723 Remote Similarity NPD4890 Phase 2
0.6721 Remote Similarity NPD4440 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   71524397
ChEMBL   CHEMBL2337112
ZINC  

Physicochemical Properties

Molecular Weight:  251.07
ALogP:  -0.2135
MLogP:  2.45
XLogP:  1.233
# Rotatable Bonds:  2
Polar Surface Area:  54.79
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  19

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs